Basic information
- CAS
73771-67-2- Standard SMILES
CC[NH+](CCCl)CCOc1cc(C)c(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C(C)C.[Cl-]- InChIKey
LSKRMLMFOBQHHM-UHFFFAOYSA-N- Molecular formula
- C26H37Cl2NO6
- Average molar mass
- 530.5 g/mol
- Monoisotopic mass
- 529.1997933
Names & identifiers
- Preferred name
- WV 799
- IUPAC
- 2-chloroethyl-ethyl-[2-[5-methyl-2-propan-2-yl-4-(3,4,5-trimethoxybenzoyl)oxyphenoxy]ethyl]azanium chloride
Names & synonyms
WV 79973771-67-2RefChem:11010695-(2-((2-Chloroethyl)ethylamino)ethoxy)carvacrol 3,4,5-trimethoxybenzylate hydrochlorideCarvacrol, 5-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, 3,4,5-trimethoxybenzylate, hydrochloride
Database identifiers
- CAS
73771-67-2- PubChem CID
- 52430
Properties
Computed structural properties
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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